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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Aug-2021 | pbe0_8cum_me | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-311G(D,P) | -423.321370526; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au C_Stilb_hex | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2337.89658220; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au C_BiPh_Hex | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2143.97586043; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au A_BiPh_cis | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2449.71654999; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au A_Hex_n | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2223.69837380; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au A_Stilb_trans | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2643.63316956; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au A_BiPh_trans | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2449.70917424; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au C_Stilb | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2757.83737508; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au A_Stilb_cis | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2643.63313640; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au C_BiPh | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2369.97166131; Eh |
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- 1 2021